1-Methyl-3-phenylthiourea

HCID 698294CAS 2724-69-8

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Basic information

Standard SMILES: CNC(=S)Nc1ccccc1
InChIKey: IGEQFPWPMCIYDF-UHFFFAOYSA-N
Molecular formula: C8H10N2S
Average molar mass: 166.25 g/mol
Monoisotopic mass: 166.05646932

Names & identifiers

Preferred name: 1-Methyl-3-phenylthiourea
IUPAC: 1-methyl-3-phenylthiourea
English name: 1-Methyl-3-phenyl-2-thiourea
Molecular formula: C8H10N2S
Molecular weight: 166.24

Names & synonyms

1-METHYL-3-PHENYLTHIOUREA2724-69-81-Methyl-3-phenyl-2-thioureaN-Methyl-N'-phenylthioureaThiourea, N-methyl-N'-phenyl-N-Methyl-N'-phenyl thioureaNSC 3736BRN 0638006DTXSID70626113-12-00-00853 (Beilstein Handbook Reference)RefChem:76282DTXCID1037646

Show more names

M-TOLYL-THIOUREAAKOS BBS-00000756TIMTEC-BB SBB0038871,3-METHYLPHENYLTHIOUREA1-Methyl-3-phenyl-thioureaN-Phenyl-N’-methylthiourean-methyl-n’-phenyl-thioure

IGEQFPWPMCIYDF-UHFFFAOYSA-N1-Phenyl-3-methylthiourea3-methyl-1-phenylthioureaUrea, 1-methyl-3-phenyl-2-thio-1-Methyl-3-phenylthiocarbamideMFCD00022130CHEMBL1910056(methylamino)(phenylamino)methane-1-thione

Database identifiers

CAS: 2724-69-8
PubChem CID: 698294
DTXSID: DTXSID7062611
ChEMBL: CHEMBL1910056
EC Number: 636-650-2
Nikkaji: J36.566A

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP0.85

Physicochemical properties

Melting point: 113 °C · 113°C
Boiling point: 247.4 · 247.4±23.0 °C(Predicted)
Density: 1.1332 · 1.1332 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)
pka: 13.42 · 13.42±0.70(Predicted)
form: powder to crystal
color: White to Orange to Green
CAS DataBase Reference: 2724 · 2724-69-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: Thiourea, N-methyl-N'-phenyl-(2724-69-8)
EPA Substance Registry System: N-Methyl-N'-phenylthiourea (2724-69-8)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 501 · P501-P270-P264-P301+P310+P330-P405
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 2811 · UN 2811 6.1/PG III
RTECS: 8750000 · YT8750000
TSCA: TSCA listed
HS Code: 2930.9 · 2930.90.2900
HazardClass: IRRITANT
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.